2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine

C21H26N2O — CID 166911476

IUPAC2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCOc1ccc(-c2ccc3c(CCN)cn(CC(C)C)c3c2)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)13-23-14-18(10-11-22)20-9-6-17(12-21(20)23)16-4-7-19(24-3)8-5-16/h4-9,12,14-15H,10-11,13,22H2,1-3H3
InChIKeyPWNBRJXDTQPMJO-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.47
Rot. Bonds6

About 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine

2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine (PubChem CID 166911476) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
PubChem CID166911476
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCOc1ccc(-c2ccc3c(CCN)cn(CC(C)C)c3c2)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)13-23-14-18(10-11-22)20-9-6-17(12-21(20)23)16-4-7-19(24-3)8-5-16/h4-9,12,14-15H,10-11,13,22H2,1-3H3
InChIKeyPWNBRJXDTQPMJO-UHFFFAOYSA-N
XLogP4.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911481
3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
CID 166911852
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
N-(dimethylaminosulfanyl)-2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166912168
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
CID 166910854
N-(dimethylaminosulfanyl)-2-[1-(2-methylpropyl)-6-[4-(trifluoromethoxy)phenyl]indol-3-yl]ethanamine
CID 166911999
2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166910623
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine (CID 166911476) is 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine is COc1ccc(-c2ccc3c(CCN)cn(CC(C)C)c3c2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine?
The InChIKey is PWNBRJXDTQPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)13-23-14-18(10-11-22)20-9-6-17(12-21(20)23)16-4-7-19(24-3)8-5-16/h4-9,12,14-15H,10-11,13,22H2,1-3H3.
What are the key properties of 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine?
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine has a molecular weight of 322.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine is sourced from PubChem (CID 166911476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).